TL;DR: (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide (CAS 1010869-98-3) is a chemical compound with molecular formula C26H27N5O4S and molecular weight 505.17838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
Also Known As: (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide, (E)-2-cyano-3-[3-[3-(dimethylsulfamoyl)phenyl]-1-phenylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
| Molecular Formula | C26H27N5O4S |
| Molecular Weight | 505.17838 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.17838 Da |
| Heavy Atoms | 36 |
| Complexity | 947.0 |
| SMILES | CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)NCC3CCCO3)C4=CC=CC=C4 |
| InChIKey | OLDMOWXAUHDIOD-XSFVSMFZSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is 1010869-98-3.
The molecular formula of (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is C26H27N5O4S.
The molecular weight of (E)-2-cyano-3-(3-(3-(N,N-dimethylsulfamoyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-N-((tetrahydrofuran-2-yl)methyl)acrylamide is 505.17838 g/mol.
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